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Sepiapterin

AlkaPlorer ID: AK005221

Synonym: None

IUPAC Name: 2-amino-6-[(2S)-2-hydroxypropanoyl]-7,8-dihydro-3H-pteridin-4-one

Structure

SMILES: C[C@H](O)C(=O)C1=NC2=C(NC1)NC(=N)N=C2O

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InChI: InChI=1S/C9H11N5O3/c1-3(15)6(16)4-2-11-7-5(12-4)8(17)14-9(10)13-7/h3,15H,2H2,1H3,(H4,10,11,13,14,17)/t3-/m0/s1

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InChIKey: VPVOXUSPXFPWBN-VKHMYHEASA-N

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Source

Species Genus Family Order Class Phylum Kingdom Domain
Bombyx mori Bombyx Bombycidae Lepidoptera Insecta Arthropoda Metazoa Eukaryota

Properties Information

Molecule Weight: 237.219

TPSA？: 134.45

MolLogP？: -0.9573300000000008

Number of H-Donors: 5

Number of H-Acceptors: 7

RingCount: 2

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi
Equus caballus Ferritin light chain Potency 39810.7 nM None
Homo sapiens ATPase family AAA domain-containing protein 5 Potency 6309.6 nM None
Homo sapiens Bloom syndrome protein Potency 2.2 nM None
Homo sapiens Caspase-1 Potency 15848.9 nM None
Homo sapiens Caspase-7 Potency 12589.3 nM None
Homo sapiens Chromobox protein homolog 1 Potency 100000.0 nM None
Homo sapiens Cytochrome P450 1A2 AC50 nan None None
Homo sapiens Cytochrome P450 2C19 AC50 nan None None
Homo sapiens Cytochrome P450 2C9 AC50 nan None None
Homo sapiens Cytochrome P450 2D6 AC50 nan None None
Homo sapiens Cytochrome P450 3A4 AC50 316.23 nM None
Homo sapiens Cytochrome P450 3A4 Potency 316.2 nM None
Homo sapiens DNA-(apurinic or apyrimidinic site) lyase Potency 11220.2 nM None
Homo sapiens Dopamine D1 receptor Potency 31622.8 nM None
Homo sapiens Endoplasmic reticulum-associated amyloid beta-peptide-binding protein Potency 25118.9 nM None
Homo sapiens Endoplasmic reticulum-associated amyloid beta-peptide-binding protein Potency 31622.8 nM None
Homo sapiens Geminin Potency 58.0 nM None
Homo sapiens Geminin Potency 5011.9 nM None
Homo sapiens Guanine nucleotide-binding protein G(i) subunit alpha-1/Regulator of G-protein signaling 12 Potency 39810.7 nM None
Homo sapiens HERG Potency 28183.8 nM None
Homo sapiens Histone-lysine N-methyltransferase, H3 lysine-9 specific 3 Potency 10000.0 nM None
Homo sapiens Histone-lysine N-methyltransferase, H3 lysine-9 specific 3 Potency 23778.1 nM None
Homo sapiens Histone-lysine N-methyltransferase, H3 lysine-9 specific 3 Potency 79432.8 nM None
Homo sapiens Hypoxia-inducible factor 1 alpha Potency 10000.0 nM None
Homo sapiens Importin subunit beta-1/Snurportin-1 Potency 112201.8 nM None
Homo sapiens Lysine-specific demethylase 4D-like Potency 28183.8 nM None
Homo sapiens Menin/Histone-lysine N-methyltransferase MLL Potency 15848.9 nM None
Homo sapiens Microtubule-associated protein tau Potency 39810.7 nM None
Homo sapiens Muscleblind-like protein 1 Potency 10000.0 nM None
Homo sapiens Prelamin-A/C Potency 6309.6 nM None
Homo sapiens SH-SY5Y Potency 17782.8 nM None
Homo sapiens Sphingomyelin phosphodiesterase Potency 15848.9 nM None
Homo sapiens Transcriptional regulator ERG Potency 35481.3 nM None
Homo sapiens Tumor susceptibility gene 101 protein Potency 18337.4 nM None
Homo sapiens Tumor susceptibility gene 101 protein Potency 56234.1 nM None
Homo sapiens Tyrosyl-DNA phosphodiesterase 1 Potency 25929.0 nM None
Homo sapiens Ubiquitin carboxyl-terminal hydrolase 1 Potency 50118.7 nM None
Homo sapiens Ubiquitin carboxyl-terminal hydrolase 1 Potency 56234.1 nM None
Rattus norvegicus Muscarinic acetylcholine receptor M1 Potency 8912.5 nM None
Rattus norvegicus Thioredoxin reductase 1, cytoplasmic Potency 26679.5 nM None
Rattus norvegicus Thioredoxin reductase 1, cytoplasmic Potency 28183.8 nM None
Rattus norvegicus Thioredoxin reductase 1, cytoplasmic Potency 39810.7 nM None
Rattus norvegicus Thioredoxin reductase 1, cytoplasmic Potency 56234.1 nM None
Rattus norvegicus Thioredoxin reductase 1, cytoplasmic Potency 70794.6 nM None
Severe acute respiratory syndrome coronavirus 2 SARS-CoV-2 IC50 19952.62 nM 10.6019/CHEMBL4651402
Severe acute respiratory syndrome coronavirus 2 SARS-CoV-2 IC50 20000.0 nM 10.6019/CHEMBL4651402
Trypanosoma brucei 6-phospho-1-fructokinase Potency 30.1 nM None
None NON-PROTEIN TARGET Potency 19952.6 nM None
None Unchecked Inhibition nan % 10.1038/nchembio873
None Unchecked Potency 1.8 nM None
None Unchecked Potency 15848.9 nM None
None Unchecked Potency 22387.2 nM None

Metabolism Information

AKRT ID Reaction Reaction Link ID
AKRT006603 CC(O)C(=O)C1CNc2nc(N)[nH]c(=O)c2N1>>C[C@H](O)C(=O)C1=Nc2c(nc(N)[nH]c2=O)NC1 R11766
AKRT013897 C[C@H](O)C(=O)C1=Nc2c([nH]c(=N)[nH]c2=O)NC1>>C[C@H](O)C(=O)C1=Nc2c([nH]c(=O)[nH]c2=O)NC1 enzymemap_79073
AKRT013898 C[C@H](O)C(=O)C1=Nc2c([nH]c(=N)[nH]c2=O)NC1>>C[C@H](O)[C@@H](O)C1=Nc2c([nH]c(=N)[nH]c2=O)NC1 enzymemap_4262
AKRT013899 C[C@H](O)C(=O)C1=Nc2c([nH]c(=N)[nH]c2=O)NC1>>C[C@H](O)[C@H](O)C1=Nc2c([nH]c(=N)[nH]c2=O)NC1 enzymemap_1420
AKRT013900 C[C@H](O)C(=O)C1=Nc2c(nc(N)[nH]c2=O)NC1>>CC(O)C(=O)C1=NC2C(=O)NC(=O)N=C2NC1 SEPIAPTERIN-DEAMINASE-RXN
AKRT013901 C[C@H](O)C(=O)C1=Nc2c(nc(N)[nH]c2=O)NC1>>C[C@@H](O)[C@@H](O)C1=Nc2c([nH]c(N)nc2=O)NC1 MNXR144480
AKRT013902 C[C@H](O)C(=O)C1=Nc2c(nc(N)[nH]c2=O)NC1>>C[C@H](O)[C@@H](O)C1=Nc2c([nH]c(N)nc2=O)NC1 RXN-13222
AKRT013903 C[C@H](O)C(=O)C1=Nc2c(nc(N)[nH]c2=O)NC1>>C[C@H](O)[C@@H](O)C1=Nc2c(nc(N)[nH]c2=O)NC1 enzymemap_4262
AKRT013904 C[C@H](O)C(=O)C1=Nc2c(nc(N)[nH]c2=O)NC1>>C[C@H](O)[C@H](O)C1=Nc2c([nH]c(N)nc2=O)NC1 SEPIAPTERIN-REDUCTASE-RXN
AKRT013905 C[C@H](O)C(=O)C1=Nc2c(nc(N)[nH]c2=O)NC1>>C[C@H](O)[C@H](O)C1=Nc2c(nc(N)[nH]c2=O)NC1 R02975
AKRT013926 C[C@H](O)[C@@H](O)C1=Nc2c([nH]c(=N)[nH]c2=O)NC1>>C[C@H](O)C(=O)C1=Nc2c([nH]c(=N)[nH]c2=O)NC1 enzymemap_4262
AKRT013927 C[C@H](O)[C@@H](O)C1=Nc2c(nc(N)[nH]c2=O)NC1>>C[C@H](O)C(=O)C1=Nc2c(nc(N)[nH]c2=O)NC1 enzymemap_4262
AKRT013944 C[C@H](O)[C@H](O)C1=Nc2c([nH]c(=N)[nH]c2=O)NC1>>C[C@H](O)C(=O)C1=Nc2c([nH]c(=N)[nH]c2=O)NC1 enzymemap_1420
AKRT013947 C[C@H](O)[C@H](O)C1=Nc2c(nc(N)[nH]c2=O)NC1>>C[C@H](O)C(=O)C1=Nc2c(nc(N)[nH]c2=O)NC1 enzymemap_1420